UCSF

ZINC27707440

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.99 5.15 -8.3 1 3 0 33 269.344 2
Lo Low (pH 4.5-6) 2.99 7.64 -42.06 2 3 1 34 270.352 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )